cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C15H24F9NO3S — CID 21079915

IUPACcyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESCC[N+](C)(CC)C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H24N.C4HF9O3S/c1-4-12(3,5-2)11-9-7-6-8-10-11;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h11H,4-10H2,1-3H3;(H,14,15,16)/q+1;/p-1
InChIKeyCNQDQSYBIXCXKP-UHFFFAOYSA-M
MW469.41 g/mol
LogP4.76
Rot. Bonds6

About cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 21079915) has the molecular formula C15H24F9NO3S and a molecular weight of 469.41 g/mol. Its IUPAC name is cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

Compound Namecyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
PubChem CID21079915
Molecular FormulaC15H24F9NO3S
Molecular Weight469.41 g/mol
Exact Mass469.13
IUPAC Namecyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
SMILESCC[N+](C)(CC)C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H24N.C4HF9O3S/c1-4-12(3,5-2)11-9-7-6-8-10-11;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h11H,4-10H2,1-3H3;(H,14,15,16)/q+1;/p-1
InChIKeyCNQDQSYBIXCXKP-UHFFFAOYSA-M
XLogP4.76
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.41
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclohexyltrimethylammonium Bis(trifluoromethanesulfonyl)imide
CID 44629769
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 21079917
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079918
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 21079919
Dicyclohexyl(dimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 21079920
1-(1,1-Difluoroethylsulfonyl)-2,6-dimethylpiperidine
CID 58122733
N,N-dicyclohexyl-1,1-difluoroethanesulfonamide
CID 58436010
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 87082681
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 87082719
Cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 87670450
Cyclohexyl(trimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 87670706
Dicyclohexyl(dimethyl)azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 87848417

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The IUPAC name of cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 21079915) is cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.
What is the SMILES notation for cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The canonical SMILES for cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is CC[N+](C)(CC)C1CCCCC1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
The InChIKey is CNQDQSYBIXCXKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H24N.C4HF9O3S/c1-4-12(3,5-2)11-9-7-6-8-10-11;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h11H,4-10H2,1-3H3;(H,14,15,16)/q+1;/p-1.
What are the key properties of cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?
cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 469.41 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-diethyl-methylazanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 21079915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).